Base information
| Cat. No. | |
| CAS No. | 1174893-99-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H11BrO |
| Molecular Weight | 215.087 |
| Exact Mass | 213.999 |
| XLogP3 | 3.0745 |
| Mr | 50.566 |
| PSA | 9.23 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1cc(C)c(cc1C)Br |
